N,N-dimethyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide

C13H16N2O2S — CID 168708331

IUPACN,N-dimethyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide
SMILESCN(C)C(=O)c1ccc(N2CC(S)CC2=O)cc1
InChIInChI=1S/C13H16N2O2S/c1-14(2)13(17)9-3-5-10(6-4-9)15-8-11(18)7-12(15)16/h3-6,11,18H,7-8H2,1-2H3
InChIKeyNEQCSPDPSNKBFW-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.42
Rot. Bonds2

About N,N-dimethyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide

N,N-dimethyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide (PubChem CID 168708331) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide
PubChem CID168708331
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN,N-dimethyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide
SMILESCN(C)C(=O)c1ccc(N2CC(S)CC2=O)cc1
InChIInChI=1S/C13H16N2O2S/c1-14(2)13(17)9-3-5-10(6-4-9)15-8-11(18)7-12(15)16/h3-6,11,18H,7-8H2,1-2H3
InChIKeyNEQCSPDPSNKBFW-UHFFFAOYSA-N
XLogP1.42
TPSA40.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 168662211
N-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide
CID 168709975
1-(4-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709982
1-(4-propan-2-ylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708079
1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709962
1-[4-(2-methoxyethoxy)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708506
5-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168710407
1-[4-(4-methylphenoxy)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708858
1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708205
4-[4-(2-oxo-4-sulfanylpyrrolidin-1-yl)phenyl]butanoic acid
CID 168710489
1-(4-propoxyphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708183
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide?
The IUPAC name of N,N-dimethyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide (CID 168708331) is N,N-dimethyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide.
What is the SMILES notation for N,N-dimethyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide?
The canonical SMILES for N,N-dimethyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide is CN(C)C(=O)c1ccc(N2CC(S)CC2=O)cc1.
What is the InChIKey of N,N-dimethyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide?
The InChIKey is NEQCSPDPSNKBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-14(2)13(17)9-3-5-10(6-4-9)15-8-11(18)7-12(15)16/h3-6,11,18H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide?
N,N-dimethyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide has a molecular weight of 264.35 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide is sourced from PubChem (CID 168708331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).